2-[2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C22H26N4O2S+2 MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC3=CC=CC=C32)CC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC3=CC=CC=C32)CC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C22H24N4O2S/c23-21(28)19-8-13-29-22(19)24-20(27)15-26-11-9-25(10-12-26)14-17-6-3-5-16-4-1-2-7-18(16)17/h1-8,13H,9-12,14-15H2,(H2,23,28)(H,24,27)/p+2